2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene

C16H16S — CID 131983585

IUPAC2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene
SMILESC=C/C=C\c1sc(/C=C\C=C)c(C=C)c1C=C
InChIInChI=1S/C16H16S/c1-5-9-11-15-13(7-3)14(8-4)16(17-15)12-10-6-2/h5-12H,1-4H2/b11-9-,12-10-
InChIKeyGCOOPLBCIIWSIV-HWAYABPNSA-N
MW240.37 g/mol
LogP5.43
Rot. Bonds6

About 2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene

2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene (PubChem CID 131983585) has the molecular formula C16H16S and a molecular weight of 240.37 g/mol. Its IUPAC name is 2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene.

Molecular Properties

Compound Name2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene
PubChem CID131983585
Molecular FormulaC16H16S
Molecular Weight240.37 g/mol
Exact Mass240.10
IUPAC Name2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene
SMILESC=C/C=C\c1sc(/C=C\C=C)c(C=C)c1C=C
InChIInChI=1S/C16H16S/c1-5-9-11-15-13(7-3)14(8-4)16(17-15)12-10-6-2/h5-12H,1-4H2/b11-9-,12-10-
InChIKeyGCOOPLBCIIWSIV-HWAYABPNSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.37
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene?
The IUPAC name of 2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene (CID 131983585) is 2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene.
What is the SMILES notation for 2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene?
The canonical SMILES for 2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene is C=C/C=C\c1sc(/C=C\C=C)c(C=C)c1C=C.
What is the InChIKey of 2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene?
The InChIKey is GCOOPLBCIIWSIV-HWAYABPNSA-N. The full InChI is InChI=1S/C16H16S/c1-5-9-11-15-13(7-3)14(8-4)16(17-15)12-10-6-2/h5-12H,1-4H2/b11-9-,12-10-.
What are the key properties of 2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene?
2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene has a molecular weight of 240.37 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene is sourced from PubChem (CID 131983585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).